N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide

C28H36FN7O3 — CID 66882237

About N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide

N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 66882237) has the molecular formula C28H36FN7O3 and a molecular weight of 537.64 g/mol. Its IUPAC name is N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide
• PubChem CID: 66882237
• Molecular Formula: C28H36FN7O3
• Molecular Weight: 537.64 g/mol
• Exact Mass: 537.29
• IUPAC Name: N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide
• SMILES: Cc1noc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccc(F)cc4C3)c2)n1
• InChI: InChI=1S/C28H36FN7O3/c1-18(2)30-10-11-35(17-27(38)34(5)36-15-22-8-9-24(29)12-23(22)16-36)26(37)14-31-25-13-21(7-6-19(25)3)28-32-20(4)33-39-28/h6-9,12-13,18,30-31H,10-11,14-17H2,1-5H3
• InChIKey: DCLOMILJOKXYAY-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.64
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The IUPAC name of N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide (CID 66882237) is N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide.

What is the SMILES notation for N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The canonical SMILES for N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide is Cc1noc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccc(F)cc4C3)c2)n1.

What is the InChIKey of N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The InChIKey is DCLOMILJOKXYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN7O3/c1-18(2)30-10-11-35(17-27(38)34(5)36-15-22-8-9-24(29)12-23(22)16-36)26(37)14-31-25-13-21(7-6-19(25)3)28-32-20(4)33-39-28/h6-9,12-13,18,30-31H,10-11,14-17H2,1-5H3.

What are the key properties of N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 537.64 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 66882237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).